Geometry & MOs

Info

ID:

190048

PubChem CID:

77944783

Reduced:

ISN5O8C25H32 (1)

Stoich.:

ABC5D8E25F32 (1)

Weight, g/mol:

730.462913

ΔHf, kcal/mol:

-289.88

Dipole, Da:

1.99

IP(EA), eV:

 -9.3(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[[1-cyclohexyl-2-[[1-[3-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)I

DOS

IR

Vibrations